N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

C21H25N7OS — CID 88875716

IUPACN-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1
InChIInChI=1S/C21H25N7OS/c1-6-28-19(9-16(26-28)13(2)3)25-21-24-17(11-30-21)15-7-8-18(20(23-15)29-5)27-10-14(4)22-12-27/h7-13H,6H2,1-5H3,(H,24,25)
InChIKeyJQHKVLWRONPORK-UHFFFAOYSA-N
MW423.55 g/mol
LogP4.79
Rot. Bonds7

About N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 88875716) has the molecular formula C21H25N7OS and a molecular weight of 423.55 g/mol. Its IUPAC name is N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID88875716
Molecular FormulaC21H25N7OS
Molecular Weight423.55 g/mol
Exact Mass423.18
IUPAC NameN-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1
InChIInChI=1S/C21H25N7OS/c1-6-28-19(9-16(26-28)13(2)3)25-21-24-17(11-30-21)15-7-8-18(20(23-15)29-5)27-10-14(4)22-12-27/h7-13H,6H2,1-5H3,(H,24,25)
InChIKeyJQHKVLWRONPORK-UHFFFAOYSA-N
XLogP4.79
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 88875716) is N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is CCn1nc(C(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1.
What is the InChIKey of N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is JQHKVLWRONPORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7OS/c1-6-28-19(9-16(26-28)13(2)3)25-21-24-17(11-30-21)15-7-8-18(20(23-15)29-5)27-10-14(4)22-12-27/h7-13H,6H2,1-5H3,(H,24,25).
What are the key properties of N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 423.55 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 88875716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).